SCHEMBL4473796

SCHEMBL4473796

Cc1noc(C)c1-c1ccc(C23CCCN(CC2)C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C9 P11712 1/20 0.39
USP2 O75604 2/20 0.38
HSD11B1 P28845 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.34
BRD4 O60885 1/20 0.33
OPRM1 P35372 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1482842 0.80 HCRTR1 (0.36)
Bromide SCHEMBL1483227 0.79 HCRTR1 (0.35)
SCHEMBL1482815 0.79 ALOX5AP (0.41) MAPK1OTUD7BBRD4
SCHEMBL5220520 0.78 CYP1A2 (0.37) CYP1A2ALDH1A1TSHRMAPK1CYP2C9
Bromide SCHEMBL4463474 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1TSHRMAPK1CYP2C9
SCHEMBL5221907 0.77 GRM5 (0.34)
Bromide SCHEMBL4461513 0.77 CHRNA7 (0.39) MAPK1ROCK1KMT2ACYP3A4
SCHEMBL12934786 0.76 VNN1 (0.33)
Bromide SCHEMBL4469519 0.76 ALOX5AP (0.33)
Bromide SCHEMBL4460367 0.76 PTPN11 (0.33) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC CYP1A2 152/4885ALDH1A1 323/4885TSHR 452/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.